UniProt P04062
Glucosylceramidase (P04062)
Glucosylceramidase (UniProt P04062), EC 2.4.1.-, 3.2.1.-: 72 experimental structures and 1 predicted model on GenesisL1, 40 ligands bound, 135 pockets. Binding sites, druggability and experiment against prediction (TM-score) in…
- UniProt
- P04062
- Protein
- Glucosylceramidase
- EC
- 2.4.1.-, 3.2.1.-, 3.2.1.104, 3.2.1.45, 3.2.1.46
- Experimental structures
- 72
- Predicted models
- 1
- Ligands
- 40
- Pockets
- 135 · 20 records with a druggable one
Structures
73 records of P04062 in the MolNFT archive: 72 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 1OGS | human acid-beta-glucosidase | x-ray diffraction | A, B | — | — |
| 1OGS | Human acid-beta-glucosidase | x-ray diffraction | A, B | — | — |
| 1Y7V | X-ray structure of human acid-beta-glucosidase covalently bound to conduritol B epoxide | x-ray diffraction | A, B | — | — |
| 1Y7V | X-ray structure of human acid-beta-glucosidase covalently bound to conduritol B epoxide | x-ray diffraction | A, B | — | — |
| 2J25 | Partially deglycosylated glucoceramidase | x-ray diffraction | A, B | — | — |
| 2J25 | Partially deglycosylated glucoceramidase | x-ray diffraction | A, B | — | — |
| 2NSX | Structure of acid-beta-glucosidase with pharmacological chaperone provides insight into Gaucher… | x-ray diffraction | A, B, C, D | — | — |
| 2NSX | Structure of acid-beta-glucosidase with pharmacological chaperone provides insight into gaucher… | x-ray diffraction | A, B, C, D | — | — |
| 2NT0 | Acid-beta-glucosidase low pH, glycerol bound | x-ray diffraction | A, B, C, D | — | — |
| 2NT0 | Acid-beta-glucosidase low pH, glycerol bound | x-ray diffraction | A, B, C, D | — | — |
| 2NT1 | Structure of acid-beta-glucosidase at neutral pH | x-ray diffraction | A, B, C, D | — | — |
| 2NT1 | Structure of acid-beta-glucosidase at neutral pH | x-ray diffraction | A, B, C, D | — | — |
| 2V3D | acid-beta-glucosidase with N-butyl-deoxynojirimycin | x-ray diffraction | A, B | — | — |
| 2V3D | Acid-beta-glucosidase with N-butyl-deoxynojirimycin | x-ray diffraction | A, B | — | — |
| 2V3E | acid-beta-glucosidase with N-nonyl-deoxynojirimycin | x-ray diffraction | A, B | — | — |
| 2V3E | Acid-beta-glucosidase with N-nonyl-deoxynojirimycin | x-ray diffraction | A, B | — | — |
| 2V3F | acid-beta-glucosidase produced in carrot | x-ray diffraction | A, B | — | — |
| 2V3F | Acid-beta-glucosidase produced in carrot | x-ray diffraction | A, B | — | — |
| 2WKL | Velaglucerase alfa | x-ray diffraction | A, B | — | — |
| 2WKL | Velaglucerase alfa | x-ray diffraction | A, B | — | — |
| 2XWD | X-ray structure of acid-beta-glucosidase with 5N,6O-(N'-(N-OCTYL)IMINO)NOJIRIMYCIN in the active… | x-ray diffraction | A, B | — | — |
| 2XWD | X-ray structure of acid-beta-glucosidase with 5N,6O-(N'-(N-octyl) IMINO)NOJIRIMYCIN in the active… | x-ray diffraction | A, B | — | — |
| 2XWE | X-ray structure of acid-beta-glucosidase with 5N,6S-(N'-(N-OCTYL)IMINO)-6-thionojirimycin in the… | x-ray diffraction | A, B | — | — |
| 2XWE | X-ray structure of acid-beta-glucosidase with 5N,6S-(N'-(N-octyl) imino)-6-thionojirimycin in the… | x-ray diffraction | A, B | — | — |
| 3GXD | Crystal structure of Apo acid-beta-glucosidase pH 4.5 | x-ray diffraction | A, B, C, D | — | — |
| 3GXD | Crystal structure of apo acid-beta-glucosidase pH 4.5 | x-ray diffraction | A, B, C, D | — | — |
| 3GXF | Crystal structure of acid-beta-glucosidase with isofagomine at neutral pH | x-ray diffraction | A, B, C, D | — | — |
| 3GXF | Crystal structure of acid-beta-glucosidase with isofagomine at neutral pH | x-ray diffraction | A, B, C, D | — | — |
| 3GXI | Crystal structure of acid-beta-glucosidase at pH 5.5 | x-ray diffraction | A, B, C, D | — | — |
| 3GXI | Crystal structure of acid-beta-glucosidase at pH 5.5 | x-ray diffraction | A, B, C, D | — | — |
| 3GXM | Crystal structure of acid-beta-glucosidase at pH 4.5, phosphate crystallization condition | x-ray diffraction | A, B, C, D | — | — |
| 3GXM | Crystal structure of acid-beta-glucosidase at pH 4.5, phosphate crystallization condition | x-ray diffraction | A, B, C, D | — | — |
| 3KE0 | Crystal structure of N370S Glucocerebrosidase at acidic pH. | x-ray diffraction | A, B | — | — |
| 3KE0 | Crystal structure of N370S glucocerebrosidase at acidic pH. | x-ray diffraction | A, B | — | — |
| 3KEH | Crystal Structure of N370S Glucocerebrosidase mutant at pH 7.4 | x-ray diffraction | A, B | — | — |
| 3KEH | Crystal structure of N370S glucocerebrosidase mutant at pH 7.4 | x-ray diffraction | A, B | — | — |
| 3RIK | The acid beta-glucosidase active site exhibits plasticity in binding… | x-ray diffraction | A, B, C, D | — | — |
| 3RIK | The acid beta-glucosidase active site exhibits plasticity in binding… | x-ray diffraction | A, B, C, D | — | — |
| 3RIL | The acid beta-glucosidase active site exhibits plasticity in binding… | x-ray diffraction | A, B, C, D | — | — |
| 3RIL | The acid beta-glucosidase active site exhibits plasticity in binding… | x-ray diffraction | A, B, C, D | — | — |
| 5LVX | Crystal structure of glucocerebrosidase with an inhibitory quinazoline modulator | x-ray diffraction | A, B, C, D | NAG, MAN, 79B, PO4, 7E4 | 14 (best 0.81) |
| 5LVX | Crystal structure of glucocerebrosidase with an inhibitory quinazoline modulator | x-ray diffraction | A, B, C, D | NAG, MAN, 79B, PO4, 7E4 | — |
| 6MOZ | Structure of acid-beta-glucosidase in complex with an aromatic pyrrolidine iminosugar inhibitor | x-ray diffraction | A, B | NAG, NA, JXA, PO4 | — |
| 6Q6K | Crystal structure of recombinant human beta-glucocerebrosidase in complex with cyclophellitol… | x-ray diffraction | A, B | NAG, SO4, HKW | 6 (best 0.80) |
| 6Q6K | Crystal structure of recombinant human beta-glucocerebrosidase in complex with cyclophellitol… | x-ray diffraction | A, B | NAG, SO4, HKW | — |
| 6Q6L | Crystal structure of recombinant human beta-glucocerebrosidase in complex with… | x-ray diffraction | A, B | NAG, SO4, RJR | 6 (best 0.82) |
| 6Q6L | Crystal structure of recombinant human beta-glucocerebrosidase in complex with… | x-ray diffraction | A, B | NAG, SO4, RJR | — |
| 6Q6N | Crystal structure of recombinant human beta-glucocerebrosidase in complex with… | x-ray diffraction | A, B | NAG, SO4, HK2 | 8 (best 0.71) |
| 6Q6N | Crystal structure of recombinant human beta-glucocerebrosidase in complex with… | x-ray diffraction | A, B | NAG, SO4, HK2 | — |
| 6TJK | Crystal Structure of Recombinant GBA in Complex with Bis-Tris Propane. | x-ray diffraction | AAA, BBB | NAG, SO4 | — |
| 6TJQ | Crystal Structure of Recombinant GBA in Complex with 2-Deoxy-2-fluoro-beta-D-glucopyranoside | x-ray diffraction | BBB | NAG, MAN, SO4, NF8 | 3 (best 0.48) |
| 6TN1 | Unliganded Crystal Structure of Recombinant GBA | x-ray diffraction | AAA | NAG, GLN, MG | 4 (best 0.51) |
| 6YTP | Structure of recombinant human beta-glucocerebrosidase in complex with azide tagged cyclophellitol… | x-ray diffraction | AAA, BBB | NAG, SO4, PN8 | 6 (best 0.84) |
| 6YTR | Structure of recombinant human beta-glucocerebrosidase in complex with cyclophellitol aziridine… | x-ray diffraction | AAA, BBB | NAG, PO8, SO4, NA | — |
| 6YUT | Structure of recombinant human beta-glucocerebrosidase in complex with N-acyl functionalised… | x-ray diffraction | AAA, BBB | NAG, SO4, K35 | 6 (best 0.79) |
| 6YV3 | Structure of recombinant human beta-glucocerebrosidase in complex with galacto-configured… | x-ray diffraction | AAA, BBB | NAG, SO4, UUU, NA | 8 (best 0.79) |
| 6Z39 | Structure of recombinant human beta-glucocerebrosidase in complex with BODIPY functionalised… | x-ray diffraction | AAA, BBB | NAG, Q65, K35, SO4, GAI | — |
| 6Z3I | Structure of recombinant beta-glucocerebrosidase in complex with bifunctional cyclophellitol… | x-ray diffraction | BBB | NAG, MAN, SO4, Q68 | 5 (best 0.51) |
| 8AWK | Structure of recombinant human beta-glucocerebrosidase in complex with D-carbaxylosyl chloride | x-ray diffraction | AAA | NAG, MAN, SO4, OIW, NA | 4 (best 0.51) |
| 8AWR | Structure of recombinant human beta-glucocerebrosidase in complex with L-carbaxylosyl chloride | x-ray diffraction | AAA | NAG, MAN, SO4, OIZ, OJ6, NA | 5 (best 0.50) |
13 records more on the page itself.
Ligands
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · in 32 records
- SO4 · Sulfate ion · in 27 records
- K · Potassium ion · in 9 records
- MAN · alpha-D-mannopyranose · in 6 records
- NA · Sodium ion · in 6 records
- PO4 · Phosphate ion · in 3 records
- 79B · 11-[(2~{R})-2-[(2-pyridin-3-ylquinazolin-4-yl)amino]-2, 3-dihydro-1~{H}-inden-5-yl]undec-10-ynoic acid · in 2 records
- 7E4 · 11-[(2~{S})-2-[(2-pyridin-3-ylquinazolin-4-yl)amino]-2, 3-dihydro-1~{H}-inden-5-yl]undec-10-ynoic acid · in 2 records
- HK2 · (1~{S},3~{S},4~{R},6~{R})-2,3,4,6-tetrakis(oxidanyl)-5-[[4-[3-(4-phenylphenoxy)propyl]-1,2,3-triazol-1-yl]methyl]cyclohexan-1-olate · in 2 records
- HKW · 6-[3,3-dimethyl-2-[(1~{E},3~{E},5~{E})-5-(1,3,3-trimethylindol-2-ylidene)penta-1,3-dienyl]indol-1-ium-1-yl]-~{N}-[[1-[[(1~{S},2~{R},3~{R},4~{S},6~{S})-2,3, 4,6-tetrakis(oxidanyl)cyclohexyl]methyl]-1,2,3-triazol-4-yl]methyl]hexanamide · in 2 records
- K35 · ~{N}-[(1~{R},2~{R},3~{R},4~{S},5~{S},6~{S})-2-(hydroxymethyl)-3,4,5,6-tetrakis(oxidanyl) cyclohexyl]pentanamide · in 2 records
- RJR · (1~{S},2~{R},3~{R},4~{S},5~{S})-4-[[4-[3-(1-adamantylmethoxy)propyl]-1,2,3-triazol-1-yl]methyl]cyclohexane-1,2,3,5-tetrol · in 2 records
- A1IB1 · 4-(phenylmethyl)piperidine · in 1 record
- A1IBC · ~{N}-(cyclopropylmethyl)benzenesulfonamide · in 1 record
- A1IBD · ~{N}-[(2~{S})-2-azanylpropyl]-4-methyl-benzenesulfonamide · in 1 record
- A1IBE · ~{N}-[(2~{S})-3-azanyl-2-oxidanyl-propyl]-2-fluoranyl-benzenesulfonamide · in 1 record
- A1IBG · ~{N}-[(2~{R})-3-azanyl-2-oxidanyl-propyl]-2-fluoranyl-benzenesulfonamide · in 1 record
- A1IBI · (2~{S})-1-(2,6-dimethylphenoxy)propan-2-amine · in 1 record
- A1IBO · ~{N}-[(2~{R})-2-azanyl-2-(3-prop-1-en-2-ylphenyl)ethyl]-3,5-bis(fluoranyl)-~{N}-methyl-benzenesulfonamide · in 1 record
- A1IBP · ~{N}-[(2~{R})-2-azanyl-2-phenyl-ethyl]-3,5-bis(fluoranyl)-~{N}-methyl-benzenesulfonamide · in 1 record
- A1IBQ · ~{N}-[(2~{S})-2-azanyl-2-phenyl-ethyl]-3,5-bis(fluoranyl)benzenesulfonamide · in 1 record
- A1IBR · ~{N}-[(2~{S})-2-azanyl-2-phenyl-ethyl]-3,5-bis(fluoranyl)-~{N}-methyl-benzenesulfonamide · in 1 record
- BAQ · pyrrolidin-2-one · in 1 record
- CA · Calcium ion · in 1 record
- GAI · Guanidine · in 1 record
- GLN · Glutamine · in 1 record
- JXA · (2R,3S,4R)-2-{[4-(3,5-dichlorophenyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidine-3,4-diol · in 1 record
- MG · Magnesium ion · in 1 record
- NF8 · (2~{R},3~{S},4~{S},5~{S})-5-fluoranyl-2-(hydroxymethyl)oxane-3,4-diol · in 1 record
- OD0 · (1~{S},2~{R},3~{S},6~{S})-6-fluoranylcyclohex-4-ene-1,2,3-triol · in 1 record
Experiment against prediction
- 2V3D chain A against the predicted model P04062: TM-score 1.00, RMSD 0.38 Å
- 2V3D chain A against the predicted model P04062: TM-score 1.00, RMSD 0.38 Å
- 2XWD chain A against the predicted model P04062: TM-score 1.00, RMSD 0.38 Å
- 2XWD chain A against the predicted model P04062: TM-score 1.00, RMSD 0.38 Å
- 6YTR chain AAA against the predicted model P04062: TM-score 1.00, RMSD 0.39 Å
- 5LVX chain C against the predicted model P04062: TM-score 1.00, RMSD 0.39 Å
- 5LVX chain C against the predicted model P04062: TM-score 1.00, RMSD 0.39 Å
- 2NSX chain B against the predicted model P04062: TM-score 1.00, RMSD 0.40 Å
- 2NSX chain B against the predicted model P04062: TM-score 1.00, RMSD 0.40 Å
- 2NSX chain D against the predicted model P04062: TM-score 1.00, RMSD 0.40 Å
Elsewhere
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